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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:39 UTC
Update Date2025-03-25 00:47:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161642
Frequency0.5
Structure
Chemical FormulaC10H11NO2
Molecular Mass177.079
SMILESNCC(O)c1ccc2ccoc2c1
InChI KeyUIKILRHBGIRYRS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzofurans
Subclass benzofurans
Direct Parent benzofurans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • benzenoids
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • furan
  • benzofuran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound